Information card for entry 1575818

Structure parameters

• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• Title of publication: Versatile method for the synthesis of aminobenziodoxolones and its application to one-pot coupling of arylboronic acids with simple amines.
• Authors of publication: Kawanaka, Kazuki; Narita, Shusuke; Kiyokawa, Kensuke; Minakata, Satoshi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19389 - 19396
• a: 6.7802 ± 0.0001 Å
• b: 9.4831 ± 0.0001 Å
• c: 22.5161 ± 0.0003 Å
• α: 90°
• β: 90.741 ± 0.001°
• γ: 90°
• Cell volume: 1447.6 ± 0.03 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No